1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine

C15H22BrNO — CID 106200055

IUPAC1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
SMILESCC(N)C(OCCC1CCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(17)15(13-7-2-3-8-14(13)16)18-10-9-12-5-4-6-12/h2-3,7-8,11-12,15H,4-6,9-10,17H2,1H3
InChIKeyRGHMTXYHQRSNHM-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine

1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine (PubChem CID 106200055) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
PubChem CID106200055
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
SMILESCC(N)C(OCCC1CCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(17)15(13-7-2-3-8-14(13)16)18-10-9-12-5-4-6-12/h2-3,7-8,11-12,15H,4-6,9-10,17H2,1H3
InChIKeyRGHMTXYHQRSNHM-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 114157313
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
1-(2-cyclobutylethoxy)-1-pyridin-2-ylpropan-2-amine
CID 106200221
1-(2-cyclobutylethoxy)-1-(2-fluorophenyl)butan-2-amine
CID 106200053
1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
CID 106199991
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55022406
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 55220620

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine (CID 106200055) is 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine is CC(N)C(OCCC1CCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine?
The InChIKey is RGHMTXYHQRSNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(17)15(13-7-2-3-8-14(13)16)18-10-9-12-5-4-6-12/h2-3,7-8,11-12,15H,4-6,9-10,17H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine?
1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine is sourced from PubChem (CID 106200055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).